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Sugi Predict / Compounds / SCHEMBL7103151

SCHEMBL7103151

SCHEMBL7103151

CCOC(=O)C(C)(C)OCc1cccc(OCCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.53
▸ PPARD Q03181 16/20 0.51
▸ PPARA Q07869 11/20 0.51
▸ PPARG P37231 7/20 0.51
▸ FFAR1 O14842 5/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5847993 0.93 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL7107434 0.91 PPARD (0.60) PTPN1PPARDPPARAPPARGFFAR1
SCHEMBL7108719 0.86 PPARD (0.46) PPARDPPARAPPARGFFAR1
SCHEMBL5848526 0.84 PPARA (0.47) PPARDPPARAPPARGFFAR1
SCHEMBL5848492 0.83 PPARD (0.62) PPARDPPARAPPARGFFAR1
SCHEMBL5848523 0.83 KDM4E (0.43) PPARDPPARAPPARG
SCHEMBL5849746 0.82 PPARD (0.45) PPARDPPARAPPARGFFAR1
SCHEMBL5849910 0.78 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL5708917 0.77 PPARD (0.57) PTPN1PPARDPPARAPPARGFFAR1
SCHEMBL5475700 0.77 PPARD (0.78) PPARDPPARAPPARGFFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345916-A1 SUBSTITUTED OXAZOLES AND THIAZOLES AS HPPAR ALPHA AGONISTS GLAXO GROUP LIMITED (GB) 2003-09-24 — — EP disclosed
WO-2002050047-A1 SUBSTITUED OXAZOLES AND THIAZOLES AS HPPAR ALPHA AGONISTS GLAXO GROUP LIMITED (GB) 2002-06-27 — — WO disclosed